BioLiP

PDB

BioLiP

PDB CCD ID:

UHU

Number of entries in BioLiP:

Chemical formula:

C6 H11 N O3

InChI:

InChI=1S/C6H11NO3/c8-1-2-3-4(7-3)6(10)5(2)9/h2-10H,1H2/t2-,3+,4+,5+,6+/m1/s1

InChIKey:

SXRBQPPVANNBHT-URLGYRAOSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C([C@@H]1[C@H]2[C@H](N2)[C@@H]([C@H]1O)O)O
CACTVS 3.385	OC[CH]1[CH](O)[CH](O)[CH]2N[CH]12
CACTVS 3.385	OC[C@H]1[C@H](O)[C@@H](O)[C@H]2N[C@@H]12
OpenEye OEToolkits 2.0.7	C(C1C2C(N2)C(C1O)O)O

Name:

(1~{S},2~{S},3~{S},4~{S},5~{S})-4-(hydroxymethyl)-6-azabicyclo[3.1.0]hexane-2,3-diol

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).